CID 15936879

141556-46-9

Structural Information

Molecular Formula
C15H11Cl2N2
SMILES
C1=CC(=CC=C1N2C=C[N+](=C2)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H11Cl2N2/c16-12-1-5-14(6-2-12)18-9-10-19(11-18)15-7-3-13(17)4-8-15/h1-11H/q+1
InChIKey
SMERAQBSTGTHMP-UHFFFAOYSA-N
Compound name
1,3-bis(4-chlorophenyl)imidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

289.02994 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.03722 165.8
[M+Na]+ 312.01916 176.3
[M-H]- 288.02266 172.2
[M+NH4]+ 307.06376 181.0
[M+K]+ 327.99310 163.4
[M+H-H2O]+ 272.02720 159.3
[M+HCOO]- 334.02814 178.5
[M+CH3COO]- 348.04379 191.5
[M+Na-2H]- 310.00461 171.0
[M]+ 289.02939 167.3
[M]- 289.03049 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe